6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione

C15H15N7O3S — CID 2351954

IUPAC6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nnnn2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C15H15N7O3S/c1-20-12(16)11(13(24)21(2)15(20)25)10(23)8-26-14-17-18-19-22(14)9-6-4-3-5-7-9/h3-7H,8,16H2,1-2H3
InChIKeyLRVLJXOTKIJJIX-UHFFFAOYSA-N
MW373.40 g/mol
LogP-0.38
Rot. Bonds5

About 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione

6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (PubChem CID 2351954) has the molecular formula C15H15N7O3S and a molecular weight of 373.40 g/mol. Its IUPAC name is 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
PubChem CID2351954
Molecular FormulaC15H15N7O3S
Molecular Weight373.40 g/mol
Exact Mass373.10
IUPAC Name6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione
SMILESCn1c(N)c(C(=O)CSc2nnnn2-c2ccccc2)c(=O)n(C)c1=O
InChIInChI=1S/C15H15N7O3S/c1-20-12(16)11(13(24)21(2)15(20)25)10(23)8-26-14-17-18-19-22(14)9-6-4-3-5-7-9/h3-7H,8,16H2,1-2H3
InChIKeyLRVLJXOTKIJJIX-UHFFFAOYSA-N
XLogP-0.38
TPSA130.69 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.40
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Related Compounds

1-[2-(1-Phenyltetrazol-5-yl)sulfanylacetyl]pyrrolidin-2-one
CID 2555772
6-Amino-1-cyclopropyl-5-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrimidine-2,4-dione
CID 9360291
6-Amino-1,3-dimethyl-5-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 2390756
6-Amino-5-[2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2610204
6-Amino-3-methyl-5-[2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylacetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2615767
6-Amino-5-[2-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 2637109
6-Amino-5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 4813262
6-Amino-1-cyclopropyl-5-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 16296442
6-Amino-1-cyclopropyl-5-[2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetyl]pyrimidine-2,4-dione
CID 16315095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-cyclopentyl-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 16332728
6-Amino-5-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione
CID 16291611
3-(1-Phenyl-1,2,3,4-tetraazol-5-ylthio)pentane-2,4-dione
CID 2746016

Frequently Asked Questions

What is the IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione (CID 2351954) is 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is Cn1c(N)c(C(=O)CSc2nnnn2-c2ccccc2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
The InChIKey is LRVLJXOTKIJJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3S/c1-20-12(16)11(13(24)21(2)15(20)25)10(23)8-26-14-17-18-19-22(14)9-6-4-3-5-7-9/h3-7H,8,16H2,1-2H3.
What are the key properties of 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione?
6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione has a molecular weight of 373.40 g/mol, XLogP of -0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,3-dimethyl-5-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]pyrimidine-2,4-dione is sourced from PubChem (CID 2351954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).